Methyl (S)-(2-Carbamoyl-5-Chloro-1H-Indol-3-Yl){3-[(E)-2-Cyanovinyl]-5-Methylphenyl}Phosphinate

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Properties Simple | Detailed

Formula C20H17ClN3O3P
IUPAC Name 5-chloro-3-[[3-[(e)-2-cyanovinyl]-5-methyl-phenyl]-methoxy-phosphoryl]-1h-indole-2-carboxamide
Molecular Mass 413.794 g·mol−1
Heat of Formation -323.5 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 463.79 Å 3
Surface Area 385.67 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey CGBYTKOSZYQOPV-CCEZBSFNSA-N
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Elements C Cl H O N P